General Information of the Compound
| Compound ID |
CP0448007
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| Compound Name |
4-tert-Butyl-N-(5-methyl-4-methylsulfanyl-isoxazol-3-yl)-benzenesulfonamide
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| Structure |
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| Formula |
C15H20N2O3S2
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| Molecular Weight |
340.47
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| Canonical SMILES |
CSc1c(C)onc1NS(=O)(=O)c1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C15H20N2O3S2/c1-10-13(21-5)14(16-20-10)17-22(18,19)12-8-6-11(7-9-12)15(2,3)4/h6-9H,1-5H3,(H,16,17)
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| InChIKey |
PRTUPPORJRVRBR-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01885, Endothelin receptor type B
Protein ID: PT01785, Endothelin-1 receptor